N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide

C19H25FN2O2 — CID 19418971

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide
SMILESCC1(C)CCc2cc(F)cc(C(=O)NC3CN4CCC3CC4)c2O1
InChIInChI=1S/C19H25FN2O2/c1-19(2)6-3-13-9-14(20)10-15(17(13)24-19)18(23)21-16-11-22-7-4-12(16)5-8-22/h9-10,12,16H,3-8,11H2,1-2H3,(H,21,23)
InChIKeyYHXJOBMKHRDFQF-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.75
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide (PubChem CID 19418971) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide
PubChem CID19418971
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide
SMILESCC1(C)CCc2cc(F)cc(C(=O)NC3CN4CCC3CC4)c2O1
InChIInChI=1S/C19H25FN2O2/c1-19(2)6-3-13-9-14(20)10-15(17(13)24-19)18(23)21-16-11-22-7-4-12(16)5-8-22/h9-10,12,16H,3-8,11H2,1-2H3,(H,21,23)
InChIKeyYHXJOBMKHRDFQF-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 10404685
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-2,2,4-trimethyl-3H-1,4-benzoxazine-8-carboxamide
CID 10642500
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromo-2,2,4-trimethyl-3H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 19780183
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 14699984
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-fluoro-3-methylbenzamide
CID 103295745
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 10125921
N-(1-azabicyclo[2.2.2]octan-3-yl)-4,4-dimethyl-8-methylsulfonylpyrrolo[2,1-c][1,4]benzoxazine-6-carboxamide;hydrochloride
CID 70094143
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
6-chloro-2,2-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydrochromene-8-carboxamide
CID 19418964

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide (CID 19418971) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide is CC1(C)CCc2cc(F)cc(C(=O)NC3CN4CCC3CC4)c2O1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide?
The InChIKey is YHXJOBMKHRDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-19(2)6-3-13-9-14(20)10-15(17(13)24-19)18(23)21-16-11-22-7-4-12(16)5-8-22/h9-10,12,16H,3-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-2,2-dimethyl-3,4-dihydrochromene-8-carboxamide is sourced from PubChem (CID 19418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).